1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H18ClN5 — CID 930787

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5/c1-11(2)7-18-15-14-8-21-22(16(14)20-10-19-15)9-12-3-5-13(17)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,20)
InChIKeyOHGUBBOEMZYNSQ-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.60
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 930787) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID930787
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5/c1-11(2)7-18-15-14-8-21-22(16(14)20-10-19-15)9-12-3-5-13(17)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,20)
InChIKeyOHGUBBOEMZYNSQ-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 930787) is 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)CNc1ncnc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OHGUBBOEMZYNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-11(2)7-18-15-14-8-21-22(16(14)20-10-19-15)9-12-3-5-13(17)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 930787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).